CID 24688818

2-cyclopentyl-1-phenylethan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCC(C1)CC(C2=CC=CC=C2)N
InChI
InChI=1S/C13H19N/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,8-9,11,13H,4-7,10,14H2
InChIKey
OXMIGFICANIVEU-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

189.15175 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.2
[M+Na]+ 212.14097 148.9
[M-H]- 188.14447 150.4
[M+NH4]+ 207.18557 165.4
[M+K]+ 228.11491 145.9
[M+H-H2O]+ 172.14901 138.2
[M+HCOO]- 234.14995 167.2
[M+CH3COO]- 248.16560 184.7
[M+Na-2H]- 210.12642 147.3
[M]+ 189.15120 139.4
[M]- 189.15230 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe